N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

C19H22N4OS — CID 66690964

IUPACN'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C3(C)CC3)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C19H22N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(4)5)24-18-14(10-20)17(22-25-18)19(3)6-7-19/h8-9,11H,6-7H2,1-5H3/b21-11+
InChIKeyKFRSDSVJUKPHJE-SRZZPIQSSA-N
MW354.48 g/mol
LogP4.70
Rot. Bonds5

About N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66690964) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66690964
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C3(C)CC3)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C19H22N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(4)5)24-18-14(10-20)17(22-25-18)19(3)6-7-19/h8-9,11H,6-7H2,1-5H3/b21-11+
InChIKeyKFRSDSVJUKPHJE-SRZZPIQSSA-N
XLogP4.70
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66690964) is N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2snc(C3(C)CC3)c2C#N)c(C)cc1/N=C/N(C)C.
What is the InChIKey of N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is KFRSDSVJUKPHJE-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(4)5)24-18-14(10-20)17(22-25-18)19(3)6-7-19/h8-9,11H,6-7H2,1-5H3/b21-11+.
What are the key properties of N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 354.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66690964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).